Vitas-M small molecule compound
(5Z)-3-benzyl-5-[4-(morpholin-4-yl)-3-nitrobenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428615
SMILES S=C1S/C(=C\c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)/C(=O)N1Cc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19N3O4S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S2/c25-20-19(30-21(29)23(20)14-15-4-2-1-3-5-15)13-16-6-7-17(18(12-16)24(26)27)22-8-10-28-11-9-22/h1-7,12-13H,8-11,14H2/b19-13-InChIKey
NENNALKWIMOBFG-UYRXBGFRSA-NSynonyms
(5Z)3benzyl5((4morpholin4yl3nitrophenyl)methylidene)2sulfanylidene13thiazolidin4one
(5Z)3benzyl5(4(morpholin4yl)3nitrobenzylidene)2thioxo13thiazolidin4one
C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC21H19N3O4S2c252019(3021(29)23(20)14154213515)13166717(18(1216)24(26)27)228102811922h171213H81114H2b1913
MFCD30710624
S=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCOCC2)C(=O)N1Cc1ccccc1
ZINC000034897390
ZINC34897390
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